[QE-users] (no subject)

[Mayank Dotiyal]

Dear QE users,

I am a new user of QE and I have been trying to calculate the dielectric
function of Silicon using the *epsilon.x. *I am using PAW type
pseudopotential and PBE functional.
I ran an SCF and an NSCF calculation with nosym =.true., and noinv =.true.,
and then using the outdirectory of NSCF calculation, I tried running the
epsilon.x, but I am getting an error (listed below).

The *input file *for epsilon.x is:
&inputpp
outdir = './scratch'
prefix = 'Si'
calculation = 'eps'
/
&energy_grid
smeartype = 'gauss'
intersmear = 0.136d0
intrasmear = 0.0d0
wmax = 15.0d0
wmin = 0.0d0
nw = 600
shift = 0.0d0
/

But I am getting the following error after running the epsilon.x:

*Error:*
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine grid_build (1):
     USPP are not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

I would be grateful to you if you could help me understand and solve this
issue.

Best regards,
Mayank Dotiyal
PhD Research Scholar
Materials engineering
IIT Gandhinagar
-- 
*Regards,*
*MD*
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